N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine

C16H17ClFN3 — CID 43772839

IUPACN-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESFc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClFN3/c17-13-4-3-5-14(16(13)18)20-12-7-10-21(11-8-12)15-6-1-2-9-19-15/h1-6,9,12,20H,7-8,10-11H2
InChIKeyXMPDOLPWQYORRS-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine

N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 43772839) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID43772839
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESFc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClFN3/c17-13-4-3-5-14(16(13)18)20-12-7-10-21(11-8-12)15-6-1-2-9-19-15/h1-6,9,12,20H,7-8,10-11H2
InChIKeyXMPDOLPWQYORRS-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43782400
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43764057
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 106593601
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675369
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine (CID 43772839) is N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine is Fc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is XMPDOLPWQYORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c17-13-4-3-5-14(16(13)18)20-12-7-10-21(11-8-12)15-6-1-2-9-19-15/h1-6,9,12,20H,7-8,10-11H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 305.78 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).